(4-hexylphenyl) 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexane-1-carboxylate

Systemtic Name: (4-hexylphenyl) 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexane-1-carboxylate Openeye Name: (4-hexylphenyl) 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexanecarboxylate CAS Name: 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]-1-cyclohexanecarboxylic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexane-1-carboxylate Traditional Name: 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexanecarboxylic acid (4-hexylphenyl) ester Formula: C26H35NO2 MolecularWeight: 393.5616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CCC=CC=CC#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CC/C=C/C=C/C#N

InChI

InChI=1S/C26H35NO2/c1-2-3-4-8-11-23-15-19-25(20-16-23)29-26(28)24-17-13-22(14-18-24)12-9-6-5-7-10-21-27/h5-7,10,15-16,19-20,22,24H,2-4,8-9,11-14,17-18H2,1H3/b6-5+,10-7+